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    • 2. 发明授权
    • Ricin inhibitors and methods for use thereof
    • 蓖麻毒素抑制剂及其使用方法
    • US06177280B1
    • 2001-01-23
    • US09118535
    • 1998-07-17
    • Xinjian YanSean KerwinJon D. Robertus
    • Xinjian YanSean KerwinJon D. Robertus
    • G01N33566
    • C07D285/22C07D285/24C07D473/18C07D475/04C07D487/04C12Q1/34G01N33/5308G01N33/56916
    • Ricin A-chain is an N-glycosidase that attacks ribosomal RNA at a highly conserved adenine residue. Crystallographic studies show that not only adenine and formycin, but also pterin-based rings can bind in the ricin active site. For a better understanding of the recognition mode between ricin, and adenine-like rings, the interaction energies and geometries were calculated for a number of complexes. Shiga toxin, a compound essentially identical to the protein originally isolated from Shigella dysenteriae, has an active protein chain that is a homologue of the ricin active chain, and catalyzes the same depurination reaction. The present invention is drawn to identifying inhibitors of ricin and Shiga toxin, using methods molecular mechanics and ab initio methods and using the identified inhibitors as antidotes to ricin or Shiga toxin, or to facilitate immunotoxin treatment by controlling non-specific cytotoxicity.
    • 蓖麻毒素A链是一种在高度保守的腺嘌呤残基下攻击核糖体RNA的N-糖苷酶。 晶体学研究表明,不仅腺嘌呤和霉素,而且基于蝶呤的环可以在蓖麻毒素活性位点结合。 为了更好地了解蓖麻毒蛋白和腺嘌呤样环之间的识别模式,计算了多种复合物的相互作用能和几何形状。 志贺毒素是一种基本上与痢疾志贺氏菌分离的蛋白质基本相同的化合物,具有活性蛋白链,是蓖麻毒素活性链的同源物,并催化相同的去血反应。 本发明涉及鉴定蓖麻毒素和志贺毒素的抑制剂,使用分子力学和从头法,并使用鉴定的抑制剂作为蓖麻毒素或志贺毒素的解毒剂,或通过控制非特异性细胞毒性促进免疫毒素治疗。
    • 4. 发明授权
    • Ricin inhibitors and methods for use thereof
    • 蓖麻毒素抑制剂及其使用方法
    • US06562969B1
    • 2003-05-13
    • US09535460
    • 2000-03-24
    • Jon RobertusSean KerwinXinjian Yan
    • Jon RobertusSean KerwinXinjian Yan
    • C07D48702
    • C07D239/47C07D239/48C07D239/545C07D285/22C07D285/24C07D473/18C07D475/04C07D487/04C07D513/04C12Q1/34G01N33/5308G01N33/56916
    • Ricin A-chain is an N-glycosidase that attacks ribosomal RNA at a highly conserved adenine residue. Crystallographic studies show that not only adenine and formycin, but also pterin-based rings can bind in the ricin active site. For a better understanding of the recognition mode between ricin, and adenine-like rings, the interaction energies and geometries were calculated for a number of complexes. Shiga toxin, a compound essentially identical to the protein originally isolated from Shigella dysenteniae, has an active protein chain that is a homologue of the ricin active chain, and catalyzes the same depurination reaction. The present invention is drawn to identifying inhibitors of ricin and Shiga toxin, using methods molecular mechanics and ab initio methods and using the identified inhibitors as antidotes to ricin or Shiga toxin, or to facilitate immunotoxin treatment by controlling non-specific cytotoxicity.
    • 蓖麻毒素A链是一种在高度保守的腺嘌呤残基下攻击核糖体RNA的N-糖苷酶。 晶体学研究表明,不仅腺嘌呤和霉素,而且基于蝶呤的环可以在蓖麻毒素活性位点结合。 为了更好地了解蓖麻毒蛋白和腺嘌呤样环之间的识别模式,计算了多种复合物的相互作用能和几何形状。 志贺毒素,一种与最初从志贺氏菌志愿菌中分离的蛋白质基本相同的化合物,具有活性蛋白质链,其是蓖麻毒素活性链的同系物,并催化相同的去血反应。 本发明涉及鉴定蓖麻毒素和志贺毒素的抑制剂,使用分子力学和从头法,并使用鉴定的抑制剂作为蓖麻毒素或志贺毒素的解毒剂,或通过控制非特异性细胞毒性促进免疫毒素治疗。